Publications (27)
Quantum Optimal Control Theory in the Linear Response Formalism
Alberto Castro, I. V. Tokatly
Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods
Adrián Gómez Pueyo, Miguel A. L. Marques, Angel Rubio +1
Optimal control with non-adiabatic Molecular Dynamics: application to the Coulomb explosion of Sodium clusters
Adrián Gómez Pueyo, Jorge A. Budagosky M., Alberto Castro
Assessment of exchange-correlation functionals for the calculation of dynamical properties of small clusters in TDDFT
M. A. L. Marques, Alberto Castro, Angel Rubio
Shaped electric fields for fast optimal manipulation of electron spin and position in a double quantum dot
J. A. Budagosky, D. V. Khomitsky, E. Ya. Sherman +1
Optimization Schemes for Selective Molecular Cleavage with Tailored Ultrashort Laser Pulses
Kevin Krieger, Alberto Castro, E. K. U. Gross
On the Combination of TDDFT with Molecular Dynamics: New Developments
J. L. Alonso, Alberto Castro, Pablo Echenique +1
Excited states dynamics in time-dependent density functional theory: high-field molecular dissociation and harmonic generation
Alberto Castro, M. A. L. Marques, Julio A. Alonso +2
Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons
Miguel A. L. Marques, Alberto Castro, Giuliano Malloci +2
Can optical spectroscopy directly elucidate the ground state of C20?
Alberto Castro, M. A. L. Marques, Julio A. Alonso +3
Solution of Poisson's equation for finite systems using plane wave methods
Alberto Castro, Angel Rubio, M. J. Stott
Optimal control theory for quantum-classical systems: Ehrenfest Molecular Dynamics based on time-dependent density-functional theory
Alberto Castro, E. K. U. Gross
Exact Coulomb cutoff technique for supercell calculations in two dimensions
Alberto Castro, Esa Rasanen, Carlo Andrea Rozzi
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme
Alberto Castro, Angel Rubio, E. K. U. Gross
A modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamics
Xavier Andrade, Alberto Castro, David Zueco +4
Acceleration of quantum optimal control theory algorithms with mixing strategies
Alberto Castro, E. K. U. Gross
On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructures
Micael J. T. Oliveira, Alberto Castro, Miguel A. L. Marques +1
Simulating pump-probe photo-electron and absorption spectroscopy on the attosecond time-scale with time-dependent density-functional theory
Umberto De Giovannini, Gustavo Brunetto, Alberto Castro +2
Scattering of a proton with the Li4 cluster: non-adiabatic molecular dynamics description based on time-dependent density-functional theory
Alberto Castro, Miguel Isla, Jose I. Martinez +1
Water Molecules in Ultrashort Intense Laser Fields
Simon Petretti, Alejandro Saenz, Alberto Castro +1
Optimization of the ionization time of an atom with tailored laser pulses: a theoretical study
David Kammerlander, Alberto Castro, Miguel A. L. Marques
Optimal Control of the Electronic Current Density - An application to one- and two-dimensional one-electron systems
David Kammerlander, Alberto Castro, Miguel A. L. Marques
Controlling the Dynamics of Many-Electron Systems from First Principles: A Marriage of Optimal Control and Time-Dependent Density-Functional Theory
Alberto Castro, Jan Werschnik, Eberhard K. U. Gross
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra
Jessica Walkenhorst, Umberto De Giovannini, Alberto Castro +1
Alignment-Dependent Ionization of N$_2$, O$_2$, and CO$_2$ in Intense Laser Fields
Simon Petretti, Yulian V. Vanne, Alejandro Saenz +2
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David A. Strubbe, Umberto De Giovannini +13
Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of van der Waals forces
Silvana Botti, Alberto Castro, Xavier Andrade +2